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1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methylthio-5-(pyridin-4-yl)-1H-imidazol-1-yl]urea
SpectraBase Compound ID 5iG6yuH5ZBM
InChI InChI=1S/C22H17F2N5OS/c1-31-22-27-19(14-2-4-16(23)5-3-14)20(15-10-12-25-13-11-15)29(22)28-21(30)26-18-8-6-17(24)7-9-18/h2-13H,1H3,(H2,26,28,30)
InChIKey PYIRSTCVAKVYMM-UHFFFAOYSA-N
Mol Weight 437.47 g/mol
Molecular Formula C22H17F2N5OS
Exact Mass 437.112188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ExhWx8k7zvl
Name 1-(4-Fluorophenyl)-3-[4-(4-fluorophenyl)-2-methylthio-5-(pyridin-4-yl)-1H-imidazol-1-yl]urea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17F2N5OS
InChI InChI=1S/C22H17F2N5OS/c1-31-22-27-19(14-2-4-16(23)5-3-14)20(15-10-12-25-13-11-15)29(22)28-21(30)26-18-8-6-17(24)7-9-18/h2-13H,1H3,(H2,26,28,30)
InChIKey PYIRSTCVAKVYMM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cmdc.201000114
Molecular Weight 437.469 g/mol
SMILES N(C(=O)N[n]1c(c(nc1SC)-c1ccc(cc1)F)-c1ccncc1)c1ccc(cc1)F
SPLASH splash10-00dj-4930400000-908fabc2edb0e89e280d
Source of Spectrum CMC-5-1141-12a
Synonyms 1-(4-fluorophenyl)-3-(4-(4-fluorophenyl)-2-(methylthio)-5-(pyridin-4-yl)-1H-imidazol-1-yl)urea
Wiley ID 1771712